4-prop-2-enylmorpholine-3,5-dione

C7H9NO3 — CID 69089378

IUPAC4-prop-2-enylmorpholine-3,5-dione
SMILESC=CCN1C(=O)COCC1=O
InChIInChI=1S/C7H9NO3/c1-2-3-8-6(9)4-11-5-7(8)10/h2H,1,3-5H2
InChIKeyVCSWSXLFZLSYKO-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.44
Rot. Bonds2

About 4-prop-2-enylmorpholine-3,5-dione

4-prop-2-enylmorpholine-3,5-dione (PubChem CID 69089378) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-prop-2-enylmorpholine-3,5-dione.

Molecular Properties

Compound Name4-prop-2-enylmorpholine-3,5-dione
PubChem CID69089378
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-prop-2-enylmorpholine-3,5-dione
SMILESC=CCN1C(=O)COCC1=O
InChIInChI=1S/C7H9NO3/c1-2-3-8-6(9)4-11-5-7(8)10/h2H,1,3-5H2
InChIKeyVCSWSXLFZLSYKO-UHFFFAOYSA-N
XLogP-0.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Acryloylmorpholine
CID 98723
Allyl morpholinone
CID 69109877
4-But-3-enoylmorpholin-3-one
CID 135001426
2-ethoxy-N,N-bis(prop-2-enyl)acetamide
CID 4338567
5-Ethenyl-4-methylmorpholin-3-one
CID 53940232
4-Prop-2-enylmorpholine-2,3-dione
CID 66697402
4-(1-Hydroxyprop-2-enyl)morpholine-3,5-dione
CID 70578770
4-(3-Hydroxyprop-2-enyl)morpholine-3,5-dione
CID 70578772
4-(3-Methylbut-2-enyl)morpholin-3-one
CID 90357799
4-(2-Ethoxyprop-2-enyl)morpholin-3-one
CID 132103530
4-Prop-2-enoylmorpholin-3-one
CID 142240658
1-Morpholin-4-yl-2-prop-2-enoxyethanone
CID 144763613

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylmorpholine-3,5-dione?
The IUPAC name of 4-prop-2-enylmorpholine-3,5-dione (CID 69089378) is 4-prop-2-enylmorpholine-3,5-dione.
What is the SMILES notation for 4-prop-2-enylmorpholine-3,5-dione?
The canonical SMILES for 4-prop-2-enylmorpholine-3,5-dione is C=CCN1C(=O)COCC1=O.
What is the InChIKey of 4-prop-2-enylmorpholine-3,5-dione?
The InChIKey is VCSWSXLFZLSYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-8-6(9)4-11-5-7(8)10/h2H,1,3-5H2.
What are the key properties of 4-prop-2-enylmorpholine-3,5-dione?
4-prop-2-enylmorpholine-3,5-dione has a molecular weight of 155.15 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylmorpholine-3,5-dione is sourced from PubChem (CID 69089378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).